PDBsum entry 5eho

Transferase

PDB id: 5eho

Contents

Protein chain

258 a.a.

Ligands

5O1

DMS

Waters ×67

PDB id:

5eho

Name:

Transferase

Title:

Rapid discovery of pyrido[3,4-d]pyrimidine inhibitors of monopolar spindle kinase 1 (mps1) using a structure-based hydridization approach

Structure:

Dual specificity protein kinase ttk. Chain: a. Fragment: unp residues 519-808. Synonym: phosphotyrosine picked threonine-protein kinase,pyt. Engineered: yes. Other_details: n8-cyclohexyl-n2-[2-methoxy-4-(1-methyl-1h-pyrazol-4- yl)phenyl]pyrido[3,4-d]pyrimidine-2,8-diamine

Source:

Homo sapiens. Human. Organism_taxid: 9606. Gene: ttk, mps1, mps1l1. Expressed in: escherichia coli. Expression_system_taxid: 562

Resolution:

2.18Å R-factor: 0.191 R-free: 0.207

Authors:

P.Innocenti,H.L.Woodward,S.Solanki,N.Naud,I.M.Westwood,N.Cronin, A.Hayes,J.Roberts,A.T.Henley,R.Baker,A.Faisal,G.Mak,G.Box,M.Valenti, A.De Haven Brandon,L.O'Fee,J.Saville,J.Schmitt,R.Burke,R.L.M.Van Montfort,F.I.Raymaud,S.A.Eccles,S.Linardopoulos,J.Blagg,S.Hoelder

Key ref:

P.Innocenti et al. Rapid discovery of pyrido[3,4-D]pyrimidine inhibitors monopolar spindle kinase 1 (mps1) using a structure-B hydridization approach. To be published, .

Date:

28-Oct-15 Release date: 09-Nov-16

Protein chain

P33981  (TTK_HUMAN) -  Dual specificity protein kinase TTK from Homo sapiens

Seq: 857 a.a.

Struc: 258 a.a.*

* PDB and UniProt seqs differ at 3 residue positions (black crosses)

Enzyme reactions

• Enzyme class: E.C.2.7.12.1 - dual-specificity kinase.
• Reaction:
  1. L-seryl-[protein] + ATP = O-phospho-L-seryl-[protein] + ADP + H⁺
  2. L-threonyl-[protein] + ATP = O-phospho-L-threonyl-[protein] + ADP + H⁺
  3. L-tyrosyl-[protein] + ATP = O-phospho-L-tyrosyl-[protein] + ADP + H⁺

Molecule diagrams generated from .mol files obtained from the KEGG ftp site